UCSF

ZINC41578155

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 9.32 -48.97 2 6 1 63 393.511 7
Hi High (pH 8-9.5) 2.67 7.01 -13.55 1 6 0 62 392.503 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )